5-[(4-cyanophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(phenylmethyl)benzamide

Systemtic Name: 5-[(4-cyanophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-5-[(4-cyanophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide CAS Name: 5-[[(4-cyanoanilino)-oxomethyl]amino]-2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-5-[(4-cyanophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide Traditional Name: N-benzyl-5-[(4-cyanophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazino]benzamide Formula: C33H32N6O3 MolecularWeight: 560.64558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C#N)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C#N)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C33H32N6O3/c1-42-31-10-6-5-9-30(31)39-19-17-38(18-20-39)29-16-15-27(37-33(41)36-26-13-11-24(22-34)12-14-26)21-28(29)32(40)35-23-25-7-3-2-4-8-25/h2-16,21H,17-20,23H2,1H3,(H,35,40)(H2,36,37,41)